diethyl 2-({[4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl]amino}methylene)malonate
기본 정보
- CAS
339028-63-6- 표준 SMILES
CCOC(=O)C(=CNc1cn(Cc2ccc(Cl)cc2Cl)c(C)c1C(=O)c1ccccc1)C(=O)OCC- InChIKey
QUTMHJOPVJWQGH-UHFFFAOYSA-N- 분자식
- C27H26Cl2N2O5
- 평균 분자량
- 529.4 g/mol
이름 및 식별자
- 우선 이름
- diethyl 2-({[4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl]amino}methylene)malonate
- IUPAC
- diethyl 2-[[[4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-5-methylpyrrol-3-yl]amino]methylidene]propanedioate
- 영어명
- Diethyl 2-(([4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl]amino)methylene)malonate
- 분자식
- C27H26Cl2N2O5
- 분자량
- 529.41
이름 및 동의어
339028-63-6diethyl 2-({[4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl]amino}methylene)malonatediethyl 2-[[[4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-5-methylpyrrol-3-yl]amino]methylidene]propanedioate1,3-diethyl 2-[({4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrrol-3-yl}amino)methylidene]propanedioateDiethyl 2-(((4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl)amino)methylene)malonateAKOS0051002298F-9021,3-diethyl2-[({4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrrol-3-yl}amino)methylidene]propanedioateDiethyl 2-(([4-benzoyl-1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrrol-3-yl]amino)methylene)malonatePropanedioic acid, 2-[[[4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrrol-3-yl]amino]methylene]-, 1,3-diethyl ester
데이터베이스 식별자
- CAS
339028-63-6
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 86.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 781
물리화학적 성질
- 끓는 점
- 609.2 · 609.2±55.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.46 · -1.46±0.70(Predicted)
관련 반응
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